1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone

C16H18N2O2 — CID 171520543

IUPAC1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone
SMILESCC(=O)c1cc(C)cc2cnc(N3CCOCC3)cc12
InChIInChI=1S/C16H18N2O2/c1-11-7-13-10-17-16(18-3-5-20-6-4-18)9-15(13)14(8-11)12(2)19/h7-10H,3-6H2,1-2H3
InChIKeyXPFKDDPQJLLUSX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.58
Rot. Bonds2

About 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone

1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone (PubChem CID 171520543) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone
PubChem CID171520543
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone
SMILESCC(=O)c1cc(C)cc2cnc(N3CCOCC3)cc12
InChIInChI=1S/C16H18N2O2/c1-11-7-13-10-17-16(18-3-5-20-6-4-18)9-15(13)14(8-11)12(2)19/h7-10H,3-6H2,1-2H3
InChIKeyXPFKDDPQJLLUSX-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpyrido[3,4-d]pyridazin-7-yl)morpholine
CID 175916253
tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate
CID 177253416
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
(NZ)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 124501972
(NE)-N-[(4-methyl-6-morpholin-4-yl-3-pyridinyl)methylidene]hydroxylamine
CID 102545545
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122340897
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone?
The IUPAC name of 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone (CID 171520543) is 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone?
The canonical SMILES for 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone is CC(=O)c1cc(C)cc2cnc(N3CCOCC3)cc12.
What is the InChIKey of 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone?
The InChIKey is XPFKDDPQJLLUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-13-10-17-16(18-3-5-20-6-4-18)9-15(13)14(8-11)12(2)19/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone?
1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone is sourced from PubChem (CID 171520543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).